ergo
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Directories | |
directory | basisset |
directory | ci |
directory | densfromf |
directory | dft |
directory | electron_dynamics |
directory | integrals |
directory | matrix |
directory | scf |
directory | test |
directory | utilities |
directory | utilities_basic |
Files | |
file | bin2m.cc |
file | config.h [code] |
file | ergo_input_parser.c |
file | ergo_input_processor.c |
file | ergo_input_processor.h [code] |
file | ergo_scripted.cc |
The main program for the ergo project. It enables scripting and more complex input forms. | |
file | ergo_scripted.h [code] |
file | fermi_contact.cc |
file | license.h [code] |
file | matrix_typedefs.h [code] |
Header file with typedefs for matrix and vector types. The levels of hierarchic matrices are defined here. | |
file | matrix_typedefs_chtml.h [code] |
Header file with typedefs for matrix types, using either the hierarchical matrix library (HML) or the Chunks and Tasks matrix library (CHTML). | |
file | registration.cc |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
file | registration.h [code] |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
file | slr.cc |
file | slr.h [code] |
Contains a Simple Linear Response implementation based on the MO orbital picture. | |
file | transform.h [code] |